MolNFT v1 · #81596 · protein
Crystal structure of the ligand binding domains of the thyroid RECEPTOR:RETINOID X receptor complexed with 3,3',5 triiodo-L- thyronine and 9-cis retinoic acid
3UVV · Thyroid hormone receptor alpha: “Crystal structure of the ligand binding domains of the thyroid RECEPTOR:RETINOID X receptor complexed with…”. X-ray diffraction, 2 ligands (T3, 9CR), 10 pockets (best druggability 0.85). MolNFT v1…
- PDB
- 3UVV
- Type
- protein
- Length
- 468 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thyroid hormone receptor alpha; Retinoic acid receptor rxr-alpha
- UniProt
- P04625, P19793
- Ligands
- T3, 9CR
- Pockets
- 10 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 63% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thyroid hormone receptor alpha | protein | 250 | 60% helix, 4% strand | P04625 |
| B | Retinoic acid receptor rxr-alpha | protein | 218 | 67% helix, 3% strand | P19793 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 235 | 0.85 | 0.96 | 29 | 9CR |
| 2 | 183 | 0.83 | 0.97 | 34 | T3 |
| 3 | 399 | 0.61 | 0.76 | 33 | empty |
| 4 | 163 | 0.56 | 0.81 | 21 | empty |
| 5 | 268 | 0.49 | 0.73 | 39 | empty |
Interfaces
1 interface between chains.
- A–B · 1044 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3UVV · Crystal Structure of the ligand binding domains of the thyroid receptor:retinoid X… · the same entry in another collection · chain A against A, TM-score 1.00
- P04625 · AlphaFold monomer V2.0 prediction for thyroid hormone receptor alpha (P04625) · a predicted model of the same protein · chain A against A, TM-score 0.97
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P04625
- Every structure of UniProt P19793
- Elsewhere: RCSB PDB 3UVV · PDBe 3UVV · UniProt P04625 · UniProt P19793
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